General Information of the Compound
| Compound ID |
CP0018313
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| Compound Name |
4-amino-6-[[(1S)-1-[3-methyl-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C28H32N8O2S
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| Molecular Weight |
544.685
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CNCCN2CCOCC2)c1
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| InChI |
InChI=1S/C28H32N8O2S/c1-18-16-39-24-13-22(19(2)34-27-23(14-29)26(30)32-17-33-27)25(28(37)36(18)24)21-5-3-4-20(12-21)15-31-6-7-35-8-10-38-11-9-35/h3-5,12-13,16-17,19,31H,6-11,15H2,1-2H3,(H3,30,32,33,34)/t19-/m0/s1
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| InChIKey |
QXALODMNQYKXPN-IBGZPJMESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound